Zinc in PDB 1nw9: Structure of Caspase-9 in An Inhibitory Complex with Xiap-BIR3

The structure of Structure of Caspase-9 in An Inhibitory Complex with Xiap-BIR3, PDB code: 1nw9 was solved by E.N.Shiozaki, J.Chai, D.J.Rigotti, S.J.Riedl, P.Li, S.M.Srinivasula, E.S.Alnemri, R.Fairman, Y.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.400, 104.400, 170.300, 90.00, 90.00, 120.00
R / Rfree (%)	23 / 23.5

The binding sites of Zinc atom in the Structure of Caspase-9 in An Inhibitory Complex with Xiap-BIR3 (pdb code 1nw9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Caspase-9 in An Inhibitory Complex with Xiap-BIR3, PDB code: 1nw9:

Zinc binding site 1 out of 1 in the Structure of Caspase-9 in An Inhibitory Complex with Xiap-BIR3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Caspase-9 in An Inhibitory Complex with Xiap-BIR3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:35.5 occ:1.00 NE2 A:HIS320 2.1 25.0 1.0 SG A:CYS327 2.2 36.1 1.0 SG A:CYS300 2.4 34.7 1.0 SG A:CYS303 2.4 39.6 1.0 CE1 A:HIS320 2.8 27.6 1.0 CB A:CYS300 3.0 38.4 1.0 CB A:CYS327 3.0 32.3 1.0 CB A:CYS303 3.2 39.7 1.0 CD2 A:HIS320 3.4 27.6 1.0 N A:CYS303 3.7 39.8 1.0 ND1 A:HIS320 4.0 28.2 1.0 CA A:CYS303 4.1 40.4 1.0 CG A:HIS320 4.3 27.4 1.0 CA A:CYS327 4.4 29.6 1.0 CA A:CYS300 4.5 43.7 1.0 CB A:HIS302 4.8 41.3 1.0 C A:HIS302 4.9 43.4 1.0 N A:GLY304 4.9 36.6 1.0 C A:CYS303 4.9 39.5 1.0 CB A:TYR324 4.9 33.9 1.0 CB A:TYR329 5.0 33.2 1.0

E.N.Shiozaki, J.Chai, D.J.Rigotti, S.J.Riedl, P.Li, S.M.Srinivasula, E.S.Alnemri, R.Fairman, Y.Shi. Mechanism of Xiap-Mediated Inhibition of Caspase-9 Mol.Cell V. 11 519 2003.
ISSN: ISSN 1097-2765
PubMed: 12620238
DOI: 10.1016/S1097-2765(03)00054-6